4-(5,6-dichlorobenzotriazol-2-yl)phenol

C12H7Cl2N3O — CID 127035088

IUPAC4-(5,6-dichlorobenzotriazol-2-yl)phenol
SMILESOc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C12H7Cl2N3O/c13-9-5-11-12(6-10(9)14)16-17(15-11)7-1-3-8(18)4-2-7/h1-6,18H
InChIKeyBYOWEUVTWTWWJV-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.43
Rot. Bonds1

About 4-(5,6-dichlorobenzotriazol-2-yl)phenol

4-(5,6-dichlorobenzotriazol-2-yl)phenol (PubChem CID 127035088) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(5,6-dichlorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5,6-dichlorobenzotriazol-2-yl)phenol
PubChem CID127035088
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name4-(5,6-dichlorobenzotriazol-2-yl)phenol
SMILESOc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C12H7Cl2N3O/c13-9-5-11-12(6-10(9)14)16-17(15-11)7-1-3-8(18)4-2-7/h1-6,18H
InChIKeyBYOWEUVTWTWWJV-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzotriazol-2-yl)phenol
CID 1237088
5,6-Dichloro-2-(4-methoxyphenyl)benzotriazole
CID 127035173
4-(5-Chloro-2H-benzotriazol-2YL)-1,3-benzenediol
CID 11219193
2-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)phenol
CID 13580836
4-(5-Chlorobenzotriazol-2-yl)phenol
CID 13953252
2-(5-Chlorobenzotriazol-2-yl)benzene-1,3,5-triol
CID 18428764
4-(4,5-Dichlorobenzotriazol-2-yl)benzene-1,3-diol
CID 18428770
2-(Benzotriazol-2-yl)-4,5-dichlorophenol
CID 18466269
4-(5-Chloro-1-oxidobenzotriazol-1-ium-2-yl)benzene-1,3-diol
CID 19899509
2-Benzotriazole-2-yl-4-chloro-phenol
CID 20446366
2-(Benzotriazol-2-yl)-4,6-dichlorophenol
CID 22388745
2-(2'-Hydroxy-5'-methylphenyl)-5,6-dichlorobenzotriazole
CID 22388753

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichlorobenzotriazol-2-yl)phenol?
The IUPAC name of 4-(5,6-dichlorobenzotriazol-2-yl)phenol (CID 127035088) is 4-(5,6-dichlorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 4-(5,6-dichlorobenzotriazol-2-yl)phenol?
The canonical SMILES for 4-(5,6-dichlorobenzotriazol-2-yl)phenol is Oc1ccc(-n2nc3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 4-(5,6-dichlorobenzotriazol-2-yl)phenol?
The InChIKey is BYOWEUVTWTWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-9-5-11-12(6-10(9)14)16-17(15-11)7-1-3-8(18)4-2-7/h1-6,18H.
What are the key properties of 4-(5,6-dichlorobenzotriazol-2-yl)phenol?
4-(5,6-dichlorobenzotriazol-2-yl)phenol has a molecular weight of 280.11 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 127035088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).